HRID2347085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID233272

Benzoic acid, 4-amino-, 1,1-dimethylethyl ester

C11H15NO2

结构：CC(=O)OCc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)C(=O)CC3

HCID22744280

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)C(Nc1ccc(C(=O)OC(C)(C)C)cc1)CC3

HCID22744292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9ab598d96ac487c9480b011bc92d306
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[n:7][c:8]2[cH:9][c:10]3[c:11]([cH:12][c:13]2[c:14](=[O:24])[n:15]1[CH2:16][O:17][C:18]([C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[C:25](=[O:28])[CH2:26][CH2:27]3.[CH3:43][OH:44].[NH2:29][c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[cH:41][cH:42]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[n:7][c:8]2[cH:9][c:10]3[c:11]([cH:12][c:13]2[c:14](=[O:24])[n:15]1[CH2:16][O:17][C:18]([C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[CH:25]([NH:29][c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[cH:41][cH:42]1)[CH2:26][CH2:27]3